SCHEMBL831149

SCHEMBL831149

COc1cccc2[nH]c(=O)c(-c3c(S(=O)(=O)c4cc5c(OC)cccc5[nH]c4=O)c(=O)[nH]c4cccc(OC)c34)cc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
ATM Q13315 1/20 0.54
ABCG2 Q9UNQ0 2/20 0.46
PARP1 P09874 1/20 0.38
BRD4 O60885 1/20 0.37
FLT3 P36888 2/20 0.37
MTNR1A P48039 4/20 0.36
MTNR1B P49286 4/20 0.36
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL831150 0.82 KMT2A (0.59) KMT2AMEN1NPC1RAB9AATM
SCHEMBL5542051 0.68 RAB9A (0.78) KMT2AMEN1NPC1RAB9AATM
SCHEMBL12969925 0.67 ATM (0.64) KMT2AMEN1NPC1RAB9AATM
SCHEMBL5433364 0.67 CA2 (0.46) KMT2AMEN1NPC1RAB9AATM
SCHEMBL31550010 0.66 MEN1 (0.62) KMT2AMEN1NPC1RAB9AATM
SCHEMBL5538905 0.65 MEN1 (0.72) KMT2AMEN1NPC1RAB9AATM
SCHEMBL9352467 0.65 ABCG2 (1.00) KMT2AMEN1NPC1RAB9AATM
SCHEMBL20597299 0.65 ABCG2 (0.67) KMT2AMEN1NPC1RAB9AATM
SCHEMBL830278 0.65 DAO (0.61) KMT2AMEN1PARP1BRD4FLT3
SCHEMBL13982717 0.65 ABCG2 (0.67) KMT2AMEN1NPC1RAB9AATM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070232649-A1 Heteroaryl Sulfones and Sulfonamides and Therapeutic Uses Thereof TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2007-10-04 US claimed
EP-1765804-A2 HETEROARYL SULFONES AND SULFONAMIDES AND THERAPEUTIC USES THEREOF Temple University of the Commonwealth System of Higher Education (US) 2007-03-28 EP claimed
WO-2005123077-A2 HETEROARYL SULFONES AND SULFONAMIDES AND THERAPEUTIC USES THEREOF TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2005-12-29 WO claimed
US-8143428-B2 Heteroaryl sulfones and sulfonamides and therapeutic uses thereof TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2012-03-27 US disclosed
EP-1765804-A2 HETEROARYL SULFONES AND SULFONAMIDES AND THERAPEUTIC USES THEREOF Temple University of the Commonwealth System of Higher Education (US) 2007-03-28 EP disclosed
WO-2005123077-A2 HETEROARYL SULFONES AND SULFONAMIDES AND THERAPEUTIC USES THEREOF TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2005-12-29 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070232649-A1 Heteroaryl Sulfones and Sulfonamides and Therapeutic Uses Thereof SULT1E1, STS, CCNE1 KMT2A 484/4885MEN1 979/4885NPC1 2964/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.